N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V028-6186 |
| Compound Name: | N-{4-[(3,5-difluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C25 H22 F2 N2 O5 |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccc2c(CN(Cc3cc(cc(c3)F)F)C(CO2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1585 |
| logD: | 3.1585 |
| logSw: | -3.417 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.929 |
| InChI Key: | YQEHDEWJGANOET-UHFFFAOYSA-N |